4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

C22H22N4O3 — CID 110332367

IUPAC4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)[nH]c(=O)n2)c1
InChIInChI=1S/C22H22N4O3/c1-29-18-9-5-6-16(14-18)19-15-20(24-22(28)23-19)21(27)26-12-10-25(11-13-26)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,28)
InChIKeyPGNMAGODRYTMLA-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.41
Rot. Bonds4

About 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332367) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332367
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)[nH]c(=O)n2)c1
InChIInChI=1S/C22H22N4O3/c1-29-18-9-5-6-16(14-18)19-15-20(24-22(28)23-19)21(27)26-12-10-25(11-13-26)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,28)
InChIKeyPGNMAGODRYTMLA-UHFFFAOYSA-N
XLogP2.41
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
4-(3-methoxyphenyl)-2-oxo-N-propyl-1H-pyrimidine-6-carboxamide
CID 110332321
N-[2-[[6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128330

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332367) is 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)[nH]c(=O)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is PGNMAGODRYTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-18-9-5-6-16(14-18)19-15-20(24-22(28)23-19)21(27)26-12-10-25(11-13-26)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,28).
What are the key properties of 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).